SCHEMBL29940273

SCHEMBL29940273

CCCCCCNC(C)CNCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
EPHX1 P07099 6/20 0.40
ADH1B P00325 2/20 0.40
ADH1C P00326 2/20 0.40
ADH1A P07327 2/20 0.40
ADH4 P08319 2/20 0.40
ADH7 P40394 2/20 0.40
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM1A O60341 1/20 0.34
MMP8 P22894 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MEN1 O00255 1/20 0.33
XBP1 P17861 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11520580 0.89 TSHR (0.50) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7088379 0.87 TSHR (0.52) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11748886 0.86 TSHR (0.46) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL24264956 0.85 TSHR (0.44) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL26854622 0.82 SIGMAR1 (0.41) TSHRCYP1A2CYP2C19SIGMAR1MEN1
SCHEMBL11831004 0.81 RELA (0.44) TSHRALDH1A1EPHX1ANPEPERAP2
SCHEMBL6897017 0.81 EPHX1 (0.52) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL6895294 0.81 EPHX1 (0.52) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL23988680 0.81 EPHX1 (0.52) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL1556475 0.80 TSHR (0.46) TSHRALDH1A1EPHX1ADH1BADH1C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559964-A1 AMINE DERIVATIVES AS ADDITIVES IN RUBBERS BASF SE (DE) 2025-05-28 EP disclosed
EP-4326813-A1 POLYISOBUTENE DERIVATIVES AS AN ADDITIVE IN RUBBERS BASF SE (DE) 2024-02-28 EP disclosed
WO-2022223345-A1 POLYISOBUTENE DERIVATIVES AS AN ADDITIVE IN RUBBERS BASF SE (DE) 2022-10-27 WO disclosed